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	hartrees
Energy at 0K	-302.850441
Energy at 298.15K
HF Energy	-302.850441
Nuclear repulsion energy	157.146046

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3097	3097	81.47	124.28	0.28	0.43
2	A₁	1867	1867	26.81	23.65	0.17	0.29
3	A₁	1480	1480	0.17	2.31	0.27	0.43
4	A₁	1095	1095	111.74	6.99	0.23	0.37
5	A₁	530	530	1.01	11.02	0.40	0.58
6	A₁	259	259	14.16	0.94	0.60	0.75
7	A₂	1032	1032	0.00	2.92	0.75	0.86
8	A₂	156	156	0.00	0.95	0.75	0.86
9	B₁	1042	1042	0.02	2.84	0.75	0.86
10	B₁	131	131	1.88	0.08	0.75	0.86
11	B₂	3083	3083	0.96	5.15	0.75	0.86
12	B₂	1784	1784	615.87	2.88	0.75	0.86
13	B₂	1430	1430	3.26	13.13	0.75	0.86
14	B₂	1094	1094	656.20	1.73	0.75	0.86
15	B₂	692	692	47.50	0.00	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.364
C2	1.206	-0.332
C3	-1.206	-0.332
O4	2.267	0.245
O5	-2.267	0.245
H6	1.087	-1.422
H7	-1.087	-1.422

	O1	C2	C3	O4	O5	H6	H7
O1		1.3922	1.3922	2.2706	2.2706	2.0911	2.0911
C2	1.3922		2.4113	1.2085	3.5208	1.0964	2.5389
C3	1.3922	2.4113		3.5208	1.2085	2.5389	1.0964
O4	2.2706	1.2085	3.5208		4.5349	2.0424	3.7462
O5	2.2706	3.5208	1.2085	4.5349		3.7462	2.0424
H6	2.0911	1.0964	2.5389	2.0424	3.7462		2.1748
H7	2.0911	2.5389	1.0964	3.7462	2.0424	2.1748

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.475	O1	C2	H6	113.809
O1	C3	O5	121.475	C2	O1	C3	119.995
O4	C2	H6	124.716

All results from a given calculation for CHOOCHO (diformyl ether)

using model chemistry: wB97X-D/6-31G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	O	-0.457
2	C	0.393
3	C	0.393
4	O	-0.337
5	O	-0.337
6	H	0.172
7	H	0.172

	x	y	z	Total
	0.000	0.000	-4.081	4.081
CHELPG
AIM
ESP

<r²>	128.681
(<r²>)^1/2	11.344